This is an official repository of Vib2Mol
☆13Sep 10, 2026Updated 2 months ago
Alternatives and similar repositories for vib2mol
Users that are interested in vib2mol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The source code of "DiffSpectra: Molecular Structure Elucidation from Spectra using Diffusion Models"☆11Oct 18, 2026Updated 3 weeks ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆15Sep 27, 2024Updated 2 years ago
- A molecular foundation model for quantum property prediction.☆18Jun 24, 2026Updated 4 months ago
- Predicting molecular structure from multimodal spectroscopic data☆32Sep 28, 2026Updated last month
- ☆10Nov 10, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This is the repository of the EnviroDetaNet☆14Sep 3, 2024Updated 2 years ago
- This is the code associated to the paper about the MultiModalSpectralTransformer, capable of predicting molecules from spectral data (1H,…☆19Oct 7, 2025Updated last year
- An AI-powered multi-agent toolkit for scientific research.☆31May 8, 2026Updated 6 months ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 11 months ago
- Official Implementation of RXNEmb☆10Mar 20, 2026Updated 7 months ago
- ✨✨ Latest Advances on AI for Spectra Data Analysis (SpectraAI)☆30Nov 24, 2025Updated 11 months ago
- ☆36Feb 18, 2025Updated last year
- MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation☆15Oct 4, 2025Updated last year
- Official implementation of "A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis pl…☆60Aug 24, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A trivial demo of chemical regioselectivity prediction via machine learning☆14May 22, 2024Updated 2 years ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆58Jun 23, 2025Updated last year
- A library for Raman spectroscopy harmonization☆11Nov 1, 2026Updated last week
- ☆15Mar 12, 2025Updated last year
- NMR structure elucidation☆30Jun 16, 2025Updated last year
- ☆37Jul 19, 2024Updated 2 years ago
- This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".☆15Aug 10, 2026Updated 3 months ago
- RLPF algorithm☆11Aug 6, 2025Updated last year
- QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry (JCIM 2025)☆12Oct 5, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Official code implementation of *Towards Unified and Lossless Latent Space for 3D Molecular Latent Diffusion Modeling* (NeurIPS 2025).☆18Nov 5, 2025Updated last year
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆21Jan 2, 2026Updated 10 months ago
- ☆67Mar 23, 2026Updated 7 months ago
- Graph-based generative model☆27Jan 6, 2026Updated 10 months ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR, IR and MS.☆36Aug 26, 2026Updated 2 months ago
- Official implementation of the paper ChefNMR: "Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra" (NeurIP…☆25Dec 11, 2025Updated 11 months ago
- Predicting molecular structure from Infrared (IR) Spectra☆33Jun 6, 2024Updated 2 years ago
- Chemical molecule custom component for Streamlit apps☆17Dec 12, 2024Updated last year
- Prediction molecular structure from NMR spectra☆48Mar 19, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- 🤓 Official Code of Paper: NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers(KDD 2026)☆18Aug 10, 2026Updated 3 months ago
- Framework for Raman spectroscopy analysis☆20May 19, 2024Updated 2 years ago
- Chemia: Chemical Representation and Analysis using Neural and Ensemble models☆50Jun 9, 2026Updated 5 months ago
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆28Jan 25, 2023Updated 3 years ago
- Official Code of Paper: MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization☆17Apr 13, 2026Updated 6 months ago
- ☆10Feb 10, 2022Updated 4 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
Are these results useful?